Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate - CAS 1393441-88-7
Catalog: |
BB075964 |
Product Name: |
Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate |
CAS: |
1393441-88-7 |
Synonyms: |
Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate; Methyl2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate; Benzeneacetic acid, 5-bromo-4-chloro-alpha-cyano-2-nitro-, methyl ester |
IUPAC Name: | methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate |
Description: | Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate |
Molecular Weight: | 333.52 |
Molecular Formula: | C10H6BrClN2O4 |
Canonical SMILES: | COC(=O)C(C#N)C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C10H6BrClN2O4/c1-18-10(15)6(4-13)5-2-7(11)8(12)3-9(5)14(16)17/h2-3,6H,1H3 |
InChI Key: | MDXNPQYBWWSCHR-UHFFFAOYSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.91995 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.91995 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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